# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44395538
_cell_length_b   15.84242816
_cell_length_c   47.40950380
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.00597556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg162
_cell_volume   8511.82039163
_cell_formula_units_Z   162
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg1  1  0.312961  0.785180  0.291730  1
  Mg  Mg2  1  0.646294  0.451847  0.291730  1
  Mg  Mg3  1  0.579879  0.785438  0.306683  1
  Mg  Mg4  1  0.979628  0.118513  0.291730  1
  Mg  Mg5  1  0.913213  0.452105  0.306683  1
  Mg  Mg6  1  0.851781  0.775448  0.321754  1
  Mg  Mg7  1  0.246546  0.118772  0.306683  1
  Mg  Mg8  1  0.185114  0.442114  0.321754  1
  Mg  Mg9  1  0.518447  0.108781  0.321754  1
  Mg  Mg10  1  0.310421  0.607845  0.319323  1
  Mg  Mg11  1  0.643755  0.274512  0.319323  1
  Mg  Mg12  1  0.579320  0.603163  0.334064  1
  Mg  Mg13  1  0.977088  0.941179  0.319323  1
  Mg  Mg14  1  0.912653  0.269830  0.334064  1
  Mg  Mg15  1  0.040997  0.617687  0.304218  1
  Mg  Mg16  1  0.245986  0.936496  0.334064  1
  Mg  Mg17  1  0.374330  0.284354  0.304218  1
  Mg  Mg18  1  0.707664  0.951020  0.304218  1
  Mg  Mg19  1  0.124290  0.766840  0.337428  1
  Mg  Mg20  1  0.457623  0.433506  0.337428  1
  Mg  Mg21  1  0.393494  0.760229  0.353290  1
  Mg  Mg22  1  0.790956  0.100173  0.337428  1
  Mg  Mg23  1  0.726827  0.426895  0.353290  1
  Mg  Mg24  1  0.663221  0.754919  0.368631  1
  Mg  Mg25  1  0.060161  0.093562  0.353290  1
  Mg  Mg26  1  0.996554  0.421586  0.368631  1
  Mg  Mg27  1  0.329887  0.088252  0.368631  1
  Mg  Mg28  1  0.119665  0.587966  0.365814  1
  Mg  Mg29  1  0.452998  0.254632  0.365814  1
  Mg  Mg30  1  0.390506  0.580921  0.381530  1
  Mg  Mg31  1  0.786331  0.921299  0.365814  1
  Mg  Mg32  1  0.723839  0.247588  0.381530  1
  Mg  Mg33  1  0.848421  0.596180  0.349824  1
  Mg  Mg34  1  0.057173  0.914254  0.381530  1
  Mg  Mg35  1  0.181754  0.262846  0.349824  1
  Mg  Mg36  1  0.515088  0.929513  0.349824  1
  Mg  Mg37  1  0.934460  0.746603  0.384190  1
  Mg  Mg38  1  0.267793  0.413270  0.384190  1
  Mg  Mg39  1  0.205091  0.739318  0.400279  1
  Mg  Mg40  1  0.601127  0.079936  0.384190  1
  Mg  Mg41  1  0.538424  0.405985  0.400279  1
  Mg  Mg42  1  0.475730  0.732511  0.416368  1
  Mg  Mg43  1  0.871758  0.072652  0.400279  1
  Mg  Mg44  1  0.809063  0.399178  0.416368  1
  Mg  Mg45  1  0.142396  0.065844  0.416368  1
  Mg  Mg46  1  0.930544  0.567437  0.413286  1
  Mg  Mg47  1  0.263877  0.234104  0.413286  1
  Mg  Mg48  1  0.201885  0.559813  0.429396  1
  Mg  Mg49  1  0.597211  0.900771  0.413286  1
  Mg  Mg50  1  0.535219  0.226480  0.429396  1
  Mg  Mg51  1  0.660125  0.574535  0.397220  1
  Mg  Mg52  1  0.868552  0.893147  0.429396  1
  Mg  Mg53  1  0.993459  0.241202  0.397220  1
  Mg  Mg54  1  0.326792  0.907868  0.397220  1
  Mg  Mg55  1  0.746282  0.725533  0.432146  1
  Mg  Mg56  1  0.079615  0.392200  0.432146  1
  Mg  Mg57  1  0.017060  0.718212  0.448132  1
  Mg  Mg58  1  0.412949  0.058866  0.432146  1
  Mg  Mg59  1  0.350393  0.384878  0.448132  1
  Mg  Mg60  1  0.287784  0.711082  0.464200  1
  Mg  Mg61  1  0.683727  0.051545  0.448132  1
  Mg  Mg62  1  0.621118  0.377748  0.464200  1
  Mg  Mg63  1  0.954451  0.044415  0.464200  1
  Mg  Mg64  1  0.742817  0.545834  0.461291  1
  Mg  Mg65  1  0.076151  0.212501  0.461291  1
  Mg  Mg66  1  0.013460  0.538694  0.477294  1
  Mg  Mg67  1  0.409484  0.879167  0.461291  1
  Mg  Mg68  1  0.346794  0.205361  0.477294  1
  Mg  Mg69  1  0.472511  0.552731  0.445384  1
  Mg  Mg70  1  0.680127  0.872028  0.477294  1
  Mg  Mg71  1  0.805845  0.219397  0.445384  1
  Mg  Mg72  1  0.139178  0.886064  0.445384  1
  Mg  Mg73  1  0.558429  0.704067  0.480204  1
  Mg  Mg74  1  0.891762  0.370734  0.480204  1
  Mg  Mg75  1  0.828920  0.697039  0.496101  1
  Mg  Mg76  1  0.225096  0.037400  0.480204  1
  Mg  Mg77  1  0.162254  0.363706  0.496101  1
  Mg  Mg78  1  0.099504  0.689938  0.512093  1
  Mg  Mg79  1  0.495587  0.030372  0.496101  1
  Mg  Mg80  1  0.432837  0.356604  0.512093  1
  Mg  Mg81  1  0.766170  0.023271  0.512093  1
  Mg  Mg82  1  0.554786  0.524447  0.509351  1
  Mg  Mg83  1  0.888120  0.191114  0.509351  1
  Mg  Mg84  1  0.825278  0.517420  0.525248  1
  Mg  Mg85  1  0.221453  0.857781  0.509351  1
  Mg  Mg86  1  0.158611  0.184086  0.525248  1
  Mg  Mg87  1  0.284203  0.531549  0.493359  1
  Mg  Mg88  1  0.491944  0.850753  0.525248  1
  Mg  Mg89  1  0.617536  0.198215  0.493359  1
  Mg  Mg90  1  0.950870  0.864882  0.493359  1
  Mg  Mg91  1  0.370246  0.682792  0.528158  1
  Mg  Mg92  1  0.703580  0.349459  0.528158  1
  Mg  Mg93  1  0.640889  0.675652  0.544161  1
  Mg  Mg94  1  0.036913  0.016126  0.528158  1
  Mg  Mg95  1  0.974223  0.342319  0.544161  1
  Mg  Mg96  1  0.911195  0.668756  0.560068  1
  Mg  Mg97  1  0.307556  0.008986  0.544161  1
  Mg  Mg98  1  0.244529  0.335422  0.560068  1
  Mg  Mg99  1  0.577862  0.002089  0.560068  1
  Mg  Mg100  1  0.366647  0.503275  0.557319  1
  Mg  Mg101  1  0.699980  0.169942  0.557319  1
  Mg  Mg102  1  0.637424  0.495954  0.573305  1
  Mg  Mg103  1  0.033313  0.836608  0.557319  1
  Mg  Mg104  1  0.970758  0.162620  0.573305  1
  Mg  Mg105  1  0.095922  0.510405  0.541252  1
  Mg  Mg106  1  0.304091  0.829287  0.573305  1
  Mg  Mg107  1  0.429255  0.177071  0.541252  1
  Mg  Mg108  1  0.762589  0.843738  0.541252  1
  Mg  Mg109  1  0.181821  0.661673  0.576056  1
  Mg  Mg110  1  0.515154  0.328340  0.576056  1
  Mg  Mg111  1  0.453163  0.654049  0.592165  1
  Mg  Mg112  1  0.848488  0.995006  0.576056  1
  Mg  Mg113  1  0.786496  0.320716  0.592165  1
  Mg  Mg114  1  0.723581  0.646951  0.608232  1
  Mg  Mg115  1  0.119829  0.987382  0.592165  1
  Mg  Mg116  1  0.056915  0.313618  0.608232  1
  Mg  Mg117  1  0.390248  0.980285  0.608232  1
  Mg  Mg118  1  0.178615  0.482168  0.605172  1
  Mg  Mg119  1  0.511949  0.148835  0.605172  1
  Mg  Mg120  1  0.449247  0.474884  0.621261  1
  Mg  Mg121  1  0.845282  0.815501  0.605172  1
  Mg  Mg122  1  0.782580  0.141550  0.621261  1
  Mg  Mg123  1  0.907977  0.488976  0.589083  1
  Mg  Mg124  1  0.115913  0.808217  0.621261  1
  Mg  Mg125  1  0.241310  0.155642  0.589083  1
  Mg  Mg126  1  0.574644  0.822309  0.589083  1
  Mg  Mg127  1  0.993201  0.640566  0.623922  1
  Mg  Mg128  1  0.326534  0.307232  0.623922  1
  Mg  Mg129  1  0.264042  0.633521  0.639638  1
  Mg  Mg130  1  0.659867  0.973899  0.623922  1
  Mg  Mg131  1  0.597375  0.300187  0.639638  1
  Mg  Mg132  1  0.535286  0.625307  0.655628  1
  Mg  Mg133  1  0.930708  0.966854  0.639638  1
  Mg  Mg134  1  0.868619  0.291973  0.655628  1
  Mg  Mg135  1  0.201952  0.958640  0.655628  1
  Mg  Mg136  1  0.990213  0.461258  0.652162  1
  Mg  Mg137  1  0.323546  0.127924  0.652162  1
  Mg  Mg138  1  0.259417  0.454647  0.668024  1
  Mg  Mg139  1  0.656879  0.794591  0.652162  1
  Mg  Mg140  1  0.592750  0.121313  0.668024  1
  Mg  Mg141  1  0.720486  0.466568  0.636820  1
  Mg  Mg142  1  0.926084  0.787980  0.668024  1
  Mg  Mg143  1  0.053819  0.133234  0.636820  1
  Mg  Mg144  1  0.387153  0.799901  0.636820  1
  Mg  Mg145  1  0.804387  0.618323  0.671388  1
  Mg  Mg146  1  0.137720  0.284990  0.671388  1
  Mg  Mg147  1  0.073285  0.613641  0.686128  1
  Mg  Mg148  1  0.471054  0.951657  0.671388  1
  Mg  Mg149  1  0.406618  0.280308  0.686128  1
  Mg  Mg150  1  0.342710  0.603800  0.701234  1
  Mg  Mg151  1  0.739952  0.946975  0.686128  1
  Mg  Mg152  1  0.676043  0.270466  0.701234  1
  Mg  Mg153  1  0.009376  0.937133  0.701234  1
  Mg  Mg154  1  0.803827  0.436048  0.698769  1
  Mg  Mg155  1  0.137161  0.102715  0.698769  1
  Mg  Mg156  1  0.070745  0.436307  0.713722  1
  Mg  Mg157  1  0.470494  0.769381  0.698769  1
  Mg  Mg158  1  0.404079  0.102973  0.713722  1
  Mg  Mg159  1  0.531926  0.446039  0.683698  1
  Mg  Mg160  1  0.737412  0.769640  0.713722  1
  Mg  Mg161  1  0.865259  0.112705  0.683698  1
  Mg  Mg162  1  0.198593  0.779372  0.683698  1
